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Chemical ID: 4704305
Chemical ID:
4704305
Name [?]:
3-[2-(2-furyl)vinyl]-1-methyl-urea
SMILES [?]:
CNC(=O)NC=Cc1ccco1
InChi [?]:
InChI=1/C8H10N2O2/c1-9-8(11)10-5-4-7-3-2-6-12-7/h2-6H,1H3,(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,9,7,6,11,8,3,2,5,4,12/rA:12nCNCONCCCCCCO/rB:s1;s2;d3;s3;s5;w6;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.11157 |
Area: | 341.82 |
Solvation: | -2.43393 |
Coulombic: | -41.0226 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 166.177 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.2 |
LogP (Chemaxon): | 0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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